Geometry & MOs

Info

ID:	226344
PubChem CID:	87350503
Reduced:	BrON2C8H13 (1)
Stoich.:	ABC2D8E13 (1)
Weight, g/mol:	215.958268
ΔH_f, kcal/mol:	-24.1
Dipole, Da:	4.68
IP(EA), eV:	-8.99(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-methylsulfanylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

COC[C@@H](C1=CCN(C=C1)Br)N

DOS

IR

Vibrations